(8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (2R)-5-methyl-2-oxidanyl-2-phenyl-hex-5-en-3-ynoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (2R)-5-methyl-2-oxidanyl-2-phenyl-hex-5-en-3-ynoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (2R)-2-hydroxy-5-methyl-2-phenyl-hex-5-en-3-ynoate CAS Name: (2R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoic acid (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) (2R)-2-hydroxy-5-methyl-2-phenylhex-5-en-3-ynoate Traditional Name: (2R)-2-hydroxy-5-methyl-2-phenyl-hex-5-en-3-ynoic acid (8-methyl-8-azabicyclo[3.2.1]octan-4-yl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O

Isomeric SMILES

CC(=C)C#C[C@](C1=CC=CC=C1)(C(=O)OC2CCC3CCC2N3C)O

InChI

InChI=1S/C21H25NO3/c1-15(2)13-14-21(24,16-7-5-4-6-8-16)20(23)25-19-12-10-17-9-11-18(19)22(17)3/h4-8,17-19,24H,1,9-12H2,2-3H3/t17?,18?,19?,21-/m0/s1